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104650-47-7 | 3H-Indole-2-carboxaldehyde
CAS No: 104650-47-7 Catalog No: AG007GWZ MDL No:
Product Description
Catalog Number:
AG007GWZ
Chemical Name:
3H-Indole-2-carboxaldehyde
CAS Number:
104650-47-7
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
3H-indole-2-carbaldehyde
InChI:
InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,6H,5H2
InChI Key:
QNHDKWJSRNIEEW-UHFFFAOYSA-N
SMILES:
O=CC1=Nc2c(C1)cccc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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